Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL1085930
Molecular formulaC20H26ClN5O
IUPAC name5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,5-dimethyl-6-pyrrolidin-1-ylpyridin-3-yl)amino]pyrazin-2-one
Molecular weight387.912
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50313864
(R)-5-chloro-1-(1-cyclopropylethyl)-3-(2,5-dimethyl-6-(pyrrolidin-1-yl)pyridin-3-ylamino)pyrazin-2(1H)-one
Inchi KeyCWOHROWFYXLUGZ-CQSZACIVSA-N
Inchi IDInChI=1S/C20H26ClN5O/c1-12-10-16(13(2)22-19(12)25-8-4-5-9-25)23-18-20(27)26(11-17(21)24-18)14(3)15-6-7-15/h10-11,14-15H,4-9H2,1-3H3,(H,23,24)/t14-/m1/s1
PubChem CID46881790
ChEMBLCHEMBL1085930
IUPHARN/A
BindingDB50313864
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
52265Corticotropin-releasing factor receptor 1P35353Crhr1Rattus norvegicus (Rat)415

yangzhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218